SCHEMBL17965166

SCHEMBL17965166

CC(C)(C)C1CC(c2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)CCN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.49
▸ S1PR3 Q99500 4/20 0.49
▸ HDAC3 O15379 3/20 0.46
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC2 Q92769 3/20 0.46
▸ HDAC8 Q9BY41 3/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.46
▸ UTRN P46939 1/20 0.41
▸ PTPN2 P17706 2/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ PTPN5 P54829 2/20 0.40
▸ HSPD1 P10809 1/20 0.40
▸ HSPE1 P61604 1/20 0.40
▸ CETP P11597 2/20 0.39
▸ PTGES O14684 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17964993 0.93 TLR9 (0.43) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL17965191 0.88 KMT2A (0.38) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL17964995 0.87 S1PR1 (0.48) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL17965095 0.85 S1PR1 (0.56) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL17965196 0.85 S1PR1 (0.45) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL17965106 0.84 LMNA (0.40) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL14707129 0.81 S1PR1 (0.54) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL14242824 0.79 S1PR1 (0.54) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL14242828 0.79 P2RY14 (0.55) S1PR1S1PR3HDAC3HDAC1HDAC2
SCHEMBL17965048 0.78 GPR119 (0.42) S1PR1S1PR3HDAC6NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718279-B1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2016-08-10 — — EP claimed
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